29 30 0 0001 0 0 0 0 0999 V2000 2.2786 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4179 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4179 -1.9842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.9285 -2.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4533 -1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.7590 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0279 -3.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.5655 -4.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.8712 -4.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.4089 -5.6069 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 8.1288 -5.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.4985 -6.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.7146 -5.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.4955 -4.6852 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 12.8012 -4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 10.3050 -4.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.8539 -3.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.9014 -3.7252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.2824 -2.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.0648 -1.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.7590 -0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.7221 -0.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.1988 -1.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 4.1476 -3.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.2786 -2.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1393 -1.9842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.1393 -0.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.2786 -3.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 27 1 0 2 3 1 0 3 4 1 0 3 25 1 0 4 5 1 0 4 18 1 0 4 24 1 6 5 6 1 0 5 22 1 0 5 23 1 1 6 7 1 0 6 20 1 0 6 21 1 1 7 8 1 0 7 18 1 0 7 19 1 6 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 10 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 2 0 25 26 1 0 25 29 2 0 26 27 2 0 27 28 1 0 M END > InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > XCCTYIAWTASOJW-XVFCMESISA-N > 1/1/N:1,2,8,7,27,6,5,4,25,26,3,28,20,22,29,15,16,17,11,12,9,18,13,14,10/E:(16,17,18)(19,20)/it:im/rA:29cCCNCCCCCOPOOOPOOOOHOHOHHCNCOO/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d10;s10;s13;s14;s14;d14;s4s7;N7;s6;P6;s5;P5;N4;s3;s25;s1d26;s27;d25;/rC:2.2786,0,0;3.4179,-.6657,0;3.4179,-1.9842,0;4.9285,-2.8419,0;5.4533,-1.6514,0;6.759,-1.7922,0;7.0279,-3.0723,0;7.5655,-4.2756,0;8.8712,-4.4164,0;9.4089,-5.6069,0;8.1288,-5.927,0;9.4985,-6.9255,0;10.7146,-5.7477,0;11.4955,-4.6852,0;12.8012,-4.8261,0;10.305,-4.1092,0;11.8539,-3.4179,0;5.9014,-3.7252,0;8.2824,-2.6627,0;8.0648,-1.6514,0;6.759,-.4736,0;5.7221,-.3584,0;4.1988,-1.2417,0;4.1476,-3.9172,0;2.2786,-2.6371,0;1.1393,-1.9842,0;1.1393,-.6657,0;;2.2786,-3.9556,0; > C9 H14 N2 O12 P2 > 404.1612 > C1C(O)=NC(=O)N([C@]2([H])O[C@]([H])(COP(OP(=O)(O)O)(=O)O)[C@@]([H])(O)[C@@]2([H])O)C=1 > 5809 $$$$